01 — Fundamentals
Fundamental preformulation prediction & critical property calculation
Density,MP,TglogP,logD₇.₄,logPapp- Acidic / Basic
pKa logS, kinetic solubilityFractionCSP3,TPSA,NumHAcceptors, …
01 · Fundamentals
AI-driven preformulation for small-molecule drug development.
From a SMILES string to a full developability dossier in seconds — ten fundamental preformulation properties, temperature- and pH-resolved profiles, and interpretable formulation descriptors.
10 fundamental preformulation properties prediction
Calculated critical physicochemical properties
Temperature-dependent solubility in organic solvent and binary solvent systems
pH-dependent preformulation estimation
Comprehensive developability assessment
Interpretable formulation descriptors (IF-Des)
Capabilities
Five prediction modules.
One SMILES.
Every module outputs actionable numbers — not just classifications — backed by interpretable ML and confidence estimates.
02 · Solubility
02 — Solubility
Conditional solubility prediction across solvents and temperatures
- Temperature-dependent solubility curves
- Organic solvent solubility
- Binary solvent systems
03 — pH Profile
pH-dependent preformulation estimation
- pH-Species fraction profile
- pH-dependent
logSprofile - pH-dependent
logDprofile
03 · pH Profile
04 · Developability
04 — Developability
Interpretable developability assessment for drug design
- BCS classification
- Druglikeness
- Oral & injectable formulatability index
- Fully interpretable
05 — Descriptors
IF-Des — interpretable formulation descriptors
- Preformulation properties
- Interpretable RDKit descriptors
- Highly interpretable & information-rich
- Batch generation
05 · IF-Des